[2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] 4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoate

Systemtic Name: [2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] 4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoate Openeye Name: [2-(4-acetamidophenyl)-2-oxo-ethyl] 4-(4-oxo-1H-quinazolin-2-yl)butanoate CAS Name: 4-(4-oxo-1H-quinazolin-2-yl)butanoic acid [2-(4-acetamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidophenyl)-2-oxoethyl] 4-(4-oxo-1H-quinazolin-2-yl)butanoate Traditional Name: 4-(4-keto-1H-quinazolin-2-yl)butyric acid [2-(4-acetamidophenyl)-2-keto-ethyl] ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C22H21N3O5/c1-14(26)23-16-11-9-15(10-12-16)19(27)13-30-21(28)8-4-7-20-24-18-6-3-2-5-17(18)22(29)25-20/h2-3,5-6,9-12H,4,7-8,13H2,1H3,(H,23,26)(H,24,25,29)